CID 730810

1148-49-8

Structural Information

Molecular Formula

C₁₆H₁₃NO

SMILES

CC1=CC2=C(C=C1)NC(=CC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H13NO/c1-11-7-8-14-13(9-11)16(18)10-15(17-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18)

InChIKey

SWRQHHJAXCNFGU-UHFFFAOYSA-N

Compound name

6-methyl-2-phenyl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 25
Patents: 235.09972 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	236.106996	151.6
[M+Na]+	258.088938	161.4
[M-H]-	234.092444	157.1
[M+NH4]+	253.133543	168.5
[M+K]+	274.062878	155.2
[M+H-H2O]+	218.096980	143.6
[M+HCOO]-	280.097921	172.6
[M+CH3COO]-	294.113571	164.2
[M+Na-2H]-	256.074386	159.2
[M]+	235.09917142	150.6
[M]-	235.10026858	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe